1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone

C17H26FN3O2 — CID 86818346

IUPAC1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N(C)CC(O)CN1CCN(C)CC1
InChIInChI=1S/C17H26FN3O2/c1-13(22)17-15(18)5-4-6-16(17)20(3)11-14(23)12-21-9-7-19(2)8-10-21/h4-6,14,23H,7-12H2,1-3H3
InChIKeyLUWDAUUDDDHAIQ-UHFFFAOYSA-N
MW323.41 g/mol
LogP1.07
Rot. Bonds6

About 1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone

1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone (PubChem CID 86818346) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone
PubChem CID86818346
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N(C)CC(O)CN1CCN(C)CC1
InChIInChI=1S/C17H26FN3O2/c1-13(22)17-15(18)5-4-6-16(17)20(3)11-14(23)12-21-9-7-19(2)8-10-21/h4-6,14,23H,7-12H2,1-3H3
InChIKeyLUWDAUUDDDHAIQ-UHFFFAOYSA-N
XLogP1.07
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2,6-difluorophenyl)ethyl-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 111106058
(2R)-1-(N,3-dimethyl-2-nitroanilino)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 100658986
(2S)-1-(N,3-dimethyl-2-nitroanilino)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 100658997
1-[(3,4-difluorophenyl)methyl-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 111105875
1-[2-fluoro-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanone
CID 60678097
3-[2-(dimethylamino)phenyl]-1-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1-methylurea
CID 95636394
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone
CID 103189335
1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone
CID 63865522
1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol
CID 133372632
1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
CID 60967598
1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone
CID 133376158
1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone
CID 43396772

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone (CID 86818346) is 1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone is CC(=O)c1c(F)cccc1N(C)CC(O)CN1CCN(C)CC1.
What is the InChIKey of 1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone?
The InChIKey is LUWDAUUDDDHAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-13(22)17-15(18)5-4-6-16(17)20(3)11-14(23)12-21-9-7-19(2)8-10-21/h4-6,14,23H,7-12H2,1-3H3.
What are the key properties of 1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone?
1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone has a molecular weight of 323.41 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone is sourced from PubChem (CID 86818346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).